UCSF

ZINC19964997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 Yes

Other Names:

MFCD11147400

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) 3.14 5.18 -6.32 2 3 0 41 243.306 4
Hi High (pH 8-9.5) 3.14 5.97 -46.22 1 3 -1 44 242.298 4

Activity (Go SEA)

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