UCSF

ZINC11851862

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2008 23 Yes

Other Names:

MFCD10465304

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 -7.11 -16.81 2 6 0 92 362.517 10
Hi High (pH 8-9.5) 3.66 -6.53 -44.24 1 6 -1 94 361.509 10
Hi High (pH 8-9.5) 3.66 -6.57 -43.24 1 6 -1 94 361.509 10
Hi High (pH 8-9.5) 3.66 -6 -95.19 0 6 -2 96 360.501 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )