UCSF

ZINC34993532

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.84 6.97 -47.92 2 3 1 29 407.17 7
Mid Mid (pH 6-8) 3.84 9.42 -127.17 3 3 2 30 408.178 7
Mid Mid (pH 6-8) 3.84 8.06 -37.14 2 3 1 26 407.17 7

Activity (Go SEA)

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