UCSF

ZINC13724318

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 Yes

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) 2.30 7.28 -12.17 1 6 0 63 361.449 3
Mid Mid (pH 6-8) 2.30 7.72 -32.67 2 6 1 64 362.457 3

Activity (Go SEA)

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